0 B14R2.8235 CC1CC(=O)C2=C(O1)C=CC(=C2)F PI-23757 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.162 CC1=CC2=C(C=C1)OCCC2=O PI-15393 [1,0,0,0,0,0|1,0,2]=4 2 B13R2.162 O=C1CCCC2=C1C=C(C)C=C2 PI-40562 [1,0,0,0,0,0|1,0,2]=4 3 B13R2.3683 O=C1CCc2c(N1)ccc(c2)N PI-34829 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.3683 O=C1CCc2c(N1)ccc(c2)O PI-22828 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [1,0,1,0,0,0|2,0,0]=4 6 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [1,0,1,0,0,0|2,0,0]=4 7 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [1,0,1,0,0,0|2,0,0]=4 8 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [1,0,1,0,0,0|2,0,0]=4 9 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [1,0,1,0,0,0|2,0,0]=4 10 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [2,0,0,0,0,0|2,0,0]=4 11 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [2,0,0,0,0,0|2,0,0]=4 12 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [2,0,0,0,0,0|2,0,0]=4 13 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [2,0,0,0,0,0|2,0,0]=4 14 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [2,0,0,0,0,0|0,0,0]=2 15 B12R2.24 CC1=NC2=C(CCCC2)C=C1 PI-11111 [2,0,0,0,0,0|2,0,0]=4 16 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [2,0,0,0,0,0|0,0,0]=2 17 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [2,0,0,0,0,0|2,0,0]=4 18 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [2,0,0,0,0,0|1,0,1]=4 19 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [2,0,0,0,0,0|2,0,0]=4 20 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [2,0,0,0,0,0|2,0,0]=4 21 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [2,0,0,0,0,0|2,0,0]=4 22 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [2,0,0,0,0,0|1,0,0]=3 23 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [2,0,0,0,0,0|0,0,2]=4 24 B12R2.1081 C1COC2=C(C1O)N=CC=C2 PI-36563 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.1081 CN1CCNC2=CC=CC=C21 PI-35506 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [2,0,0,0,0,0|1,0,0]=3 28 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [2,0,0,0,0,0|1,0,0]=3 29 B14R1.6074 B(C1=C(C=CC(=C1)C)OC(C)C)(O)O PI-49928 [0,1,1,0,0,0|2,0,0]=4 30 B14R2.29369 CC1CCC2=C(N1)C=CC(=C2F)F PI-40343 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.16 C1=CC(=CC=C1[C@@H](CCO)N)F PI-48264 [0,0,1,0,1,0|2,0,0]=4 32 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [1,0,0,0,1,0|2,0,0]=4 33 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [1,0,0,0,1,0|2,0,0]=4 34 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [1,0,0,0,1,0|1,0,0]=3 35 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [1,0,0,0,1,0|0,0,2]=4 36 B12R2.612 CC1CCC2=C(C1)OC=C2C PI-47187 [1,0,0,0,1,0|2,0,0]=4 37 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [1,0,0,0,1,0|2,0,0]=4 38 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [1,0,0,0,1,0|1,0,1]=4